#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4r s PRO 2 N 0.00 4.21 -0.08 0.03 0.04 -1.26 -4.92 135.00 133.02 1v4r s PRO 2 Ca 0.00 2.33 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 1v4r s PRO 2 Cb 0.00 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1v4r s PRO 2 CO 0.00 -0.65 0.75 -0.47 0.04 0.00 0.00 177.00 176.67 1v4r s TYR 3 N 1.82 3.55 -0.36 0.56 5.04 -1.25 -4.24 117.35 122.46 1v4r s TYR 3 Ca 0.71 1.28 -0.19 0.00 -2.44 0.00 0.00 57.07 56.44 1v4r s TYR 3 Cb -0.41 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.02 1v4r s TYR 3 CO 0.32 0.01 0.55 0.21 -1.34 0.00 0.00 175.55 175.30 1v4r s LYS 4 N 1.09 3.57 -0.19 4.97 2.20 -0.44 -5.03 119.74 125.92 1v4r s LYS 4 Ca 0.39 -0.16 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 1v4r s LYS 4 Cb -0.18 -3.83 -0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1v4r s LYS 4 CO 0.18 -0.71 0.95 0.00 -0.36 0.00 0.00 175.35 175.40 1v4r s ALA 5 N 2.50 3.57 -0.11 3.13 0.00 -1.26 -3.74 121.76 125.86 1v4r s ALA 5 Ca 0.20 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 1v4r s ALA 5 Cb -0.15 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1v4r s ALA 5 CO 0.14 -0.82 0.32 -1.25 0.00 0.00 0.00 175.76 174.15 1v4r s PRO 6 N 2.58 4.06 0.00 0.00 0.04 -1.26 -4.98 135.00 135.44 1v4r s PRO 6 Ca 0.42 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1v4r s PRO 6 Cb -0.16 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1v4r s PRO 6 CO 0.11 0.43 0.00 0.39 0.04 0.00 0.00 177.00 177.96 1v4r n GLU 7 N 2.90 0.00 -2.98 4.56 4.71 -1.26 -4.81 120.64 123.75 1v4r n GLU 7 Ca -0.13 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.58 1v4r n GLU 7 Cb 0.52 -0.31 -0.03 0.00 -1.01 0.00 0.00 31.44 30.61 1v4r n GLU 7 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1v4r s GLY 8 N -2.23 1.94 1.07 0.62 0.00 -1.26 -5.02 107.32 102.43 1v4r s GLY 8 Ca 0.00 -2.68 -0.18 0.00 0.00 0.00 0.00 44.72 41.86 1v4r s GLY 8 CO 0.00 1.89 1.25 0.54 0.00 0.00 0.00 173.10 176.77 1v4r s LYS 9 N 2.54 -0.22 0.00 2.90 1.02 -1.26 -5.09 119.74 119.63 1v4r s LYS 9 Ca 0.28 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.95 1v4r s LYS 9 Cb -0.09 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 1v4r s LYS 9 CO -0.06 -3.00 0.00 0.41 -0.92 0.00 0.00 175.35 171.78 1v4r n GLY 10 N -2.66 2.41 0.00 -3.33 0.00 -1.26 -4.96 105.19 95.39 1v4r n GLY 10 Ca 0.15 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.71 1v4r n GLY 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1v4r n TYR 11 N -0.57 0.00 0.09 1.61 4.11 -1.26 -2.68 117.16 118.46 1v4r n TYR 11 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.87 1v4r n TYR 11 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 1v4r n TYR 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1v4r h ALA 12 N 2.26 0.49 0.01 -3.48 0.00 -1.93 -2.46 119.26 114.14 1v4r h ALA 12 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 1v4r h ALA 12 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1v4r h ALA 12 CO 0.00 1.00 -0.00 0.22 0.00 0.00 0.00 179.25 180.47 1v4r h ASP 13 N 0.00 -0.01 -0.04 0.00 1.82 -1.88 -2.00 116.42 114.30 1v4r h ASP 13 Ca -0.01 -0.37 -0.16 0.00 -0.39 0.00 0.00 57.03 56.10 1v4r h ASP 13 Cb 1.61 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.61 1v4r h ASP 13 CO 0.10 0.37 -0.53 -0.37 -1.61 0.00 0.00 179.24 177.21 1v4r h VAL 14 N -0.38 1.31 -0.33 2.25 -1.51 -1.78 -0.50 116.25 115.31 1v4r h VAL 14 Ca -0.00 -1.76 0.05 0.00 -1.23 0.00 0.00 66.70 63.76 1v4r h VAL 14 Cb 0.38 1.72 -0.05 0.00 -2.13 0.00 0.00 31.29 31.21 1v4r h VAL 14 CO 0.00 0.55 0.03 0.00 -1.23 0.00 0.00 177.57 176.92 1v4r h ALA 15 N 0.93 0.32 0.00 5.19 0.00 -1.42 0.15 119.26 124.42 1v4r h ALA 15 Ca 0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1v4r h ALA 15 Cb 1.08 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1v4r h ALA 15 CO 0.10 -0.38 -0.25 0.00 0.00 0.00 0.00 179.25 178.73 1v4r h THR 16 N 0.13 0.41 0.01 0.00 1.03 -1.28 -3.31 112.91 109.89 1v4r h THR 16 Ca 0.16 -1.58 -0.26 0.00 -0.01 0.00 0.00 66.41 64.71 1v4r h THR 16 Cb 0.20 2.20 -0.04 0.00 -1.07 0.00 0.00 68.15 69.44 1v4r h THR 16 CO -0.24 0.24 -1.43 0.45 -0.01 0.00 0.00 175.52 174.53 1v4r h HIS 17 N 0.00 0.02 0.00 0.00 -0.00 -0.54 -3.30 115.15 111.33 1v4r h HIS 17 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1v4r h HIS 17 Cb 1.19 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1v4r h HIS 17 CO 0.00 1.02 0.00 0.35 -0.00 0.00 0.00 177.93 179.30 1v4r h PHE 18 N 0.00 0.00 0.00 2.45 3.57 -0.82 -2.67 116.94 119.47 1v4r h PHE 18 Ca -0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1v4r h PHE 18 Cb 1.92 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.66 1v4r h PHE 18 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1v4r h ARG 19 N 0.00 0.00 0.00 1.11 2.47 -1.67 -0.24 114.38 116.04 1v4r h ARG 19 Ca 0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1v4r h ARG 19 Cb 0.61 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 1v4r h ARG 19 CO 0.00 0.00 -0.80 1.15 0.56 0.00 0.00 179.97 180.88 1v4r h THR 20 N 0.00 1.01 0.00 2.04 2.02 -1.69 -2.73 112.91 113.56 1v4r h THR 20 Ca 0.00 -2.49 -0.04 0.00 0.77 0.00 0.00 66.41 64.66 1v4r h THR 20 Cb 0.14 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1v4r h THR 20 CO 0.00 0.57 -0.21 -0.07 0.37 0.00 0.00 175.52 176.18 1v4r h LEU 21 N 0.00 0.00 -0.40 2.58 -0.00 -1.24 -3.26 115.31 112.98 1v4r h LEU 21 Ca -0.04 -0.74 0.00 0.00 -0.00 0.00 0.00 57.88 57.10 1v4r h LEU 21 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 1v4r h LEU 21 CO 0.08 1.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.51 1v4r n ILE 22 N -4.61 0.00 0.00 1.22 0.13 -0.56 0.19 119.36 115.74 1v4r n ILE 22 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1v4r n ILE 22 Cb 0.43 -0.20 0.00 0.00 -0.84 0.00 0.00 39.64 39.03 1v4r n ILE 22 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1v4r n LYS 23 N -0.30 0.00 -0.01 9.51 4.81 -1.03 -4.81 118.16 126.33 1v4r n LYS 23 Ca 0.00 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1v4r n LYS 23 Cb 0.10 -0.93 -0.02 0.00 0.02 0.00 0.00 35.03 34.19 1v4r n LYS 23 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1v4r n SER 24 N -0.88 4.34 0.00 3.14 7.64 -1.26 -5.00 113.62 121.60 1v4r n SER 24 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1v4r n SER 24 Cb 0.00 0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1v4r n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v4r n GLY 25 N 2.82 0.00 0.30 0.23 0.00 -1.26 -4.98 105.19 102.31 1v4r n GLY 25 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1v4r n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1v4r h GLU 26 N 0.00 0.67 -3.10 1.61 5.08 -1.80 -2.06 114.58 114.98 1v4r h GLU 26 Ca 0.00 -0.04 -0.68 0.00 -1.00 0.00 0.00 59.36 57.64 1v4r h GLU 26 Cb 0.00 -0.15 -0.37 0.00 0.50 0.00 0.00 28.75 28.72 1v4r h GLU 26 CO 0.00 0.45 -0.21 -0.11 -1.00 0.00 0.00 179.01 178.14 1v4r n LEU 27 N -4.81 4.01 -4.73 1.33 -0.00 0.13 -4.96 117.00 107.97 1v4r n LEU 27 Ca 0.14 -5.20 -0.42 0.00 -0.00 0.00 0.00 56.01 50.54 1v4r n LEU 27 Cb 0.34 -0.98 -0.03 0.00 -0.00 0.00 0.00 43.42 42.75 1v4r n LEU 27 CO 0.24 1.68 1.18 0.00 -0.00 0.00 0.00 177.39 180.49 1v4r s ALA 28 N -1.63 3.72 0.24 1.96 0.00 -0.78 -4.35 121.76 120.93 1v4r s ALA 28 Ca 0.29 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1v4r s ALA 28 Cb -0.03 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1v4r s ALA 28 CO -0.11 -0.77 1.23 -1.25 0.00 0.00 0.00 175.76 174.86 1v4r s PRO 29 N 0.56 4.46 0.00 0.00 0.04 -1.26 -2.46 135.00 136.34 1v4r s PRO 29 Ca 0.66 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1v4r s PRO 29 Cb -0.43 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1v4r s PRO 29 CO 0.36 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1v4r n GLY 30 N 1.76 0.81 3.48 0.56 0.00 0.15 -4.98 105.19 106.97 1v4r n GLY 30 Ca 0.03 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1v4r n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v4r s ASP 31 N -2.12 3.24 0.50 1.61 -1.08 -1.03 -4.86 116.67 112.94 1v4r s ASP 31 Ca 0.00 -1.17 -0.18 0.00 -0.52 0.00 0.00 52.55 50.68 1v4r s ASP 31 Cb 0.00 -0.26 -0.08 0.00 -1.46 0.00 0.00 42.92 41.12 1v4r s ASP 31 CO 0.00 -0.24 0.99 0.42 0.52 0.00 0.00 175.17 176.86 1v4r s THR 32 N -2.79 4.34 0.36 1.71 -4.23 -1.26 0.91 115.64 114.68 1v4r s THR 32 Ca 0.30 1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 61.93 1v4r s THR 32 Cb 0.02 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.16 1v4r s THR 32 CO 0.14 -0.52 0.75 -0.76 -0.54 0.00 0.00 174.62 173.69 1v4r s LEU 33 N -3.81 3.96 0.84 4.79 1.43 0.16 -4.78 118.68 121.27 1v4r s LEU 33 Ca 0.61 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1v4r s LEU 33 Cb -0.11 -4.05 0.10 0.00 0.03 0.00 0.00 46.19 42.15 1v4r s LEU 33 CO 0.26 -0.29 1.13 -2.16 0.23 0.00 0.00 176.35 175.51 1v4r s PRO 34 N -3.37 1.72 0.63 1.29 0.04 -1.26 -4.91 135.00 129.14 1v4r s PRO 34 Ca 0.53 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.79 1v4r s PRO 34 Cb -0.10 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1v4r s PRO 34 CO 0.24 -1.81 1.07 0.45 0.04 0.00 0.00 177.00 176.99 1v4r s SER 35 N -4.14 5.52 0.65 6.66 0.15 -1.26 -4.88 113.70 116.40 1v4r s SER 35 Ca 0.62 1.82 0.31 0.00 0.70 0.00 0.00 55.95 59.40 1v4r s SER 35 Cb -0.14 -2.53 1.66 0.00 -1.71 0.00 0.00 66.02 63.31 1v4r s SER 35 CO 0.52 -1.35 1.96 -0.37 1.20 0.00 0.00 173.24 175.21 1v4r h VAL 36 N 0.10 0.08 -0.69 4.45 -1.51 -1.96 0.09 116.25 116.82 1v4r h VAL 36 Ca -0.46 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.96 1v4r h VAL 36 Cb 1.22 0.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.05 1v4r h VAL 36 CO 0.56 0.00 0.23 0.00 -1.23 0.00 0.00 177.57 177.13 1v4r h ALA 37 N 1.42 1.10 0.16 5.19 0.00 -1.96 0.11 119.26 125.28 1v4r h ALA 37 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1v4r h ALA 37 Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1v4r h ALA 37 CO -0.00 0.62 -0.08 -0.44 0.00 0.00 0.00 179.25 179.35 1v4r h ASP 38 N 1.02 -0.18 0.31 0.00 5.19 -1.32 -1.56 116.42 119.87 1v4r h ASP 38 Ca 0.23 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1v4r h ASP 38 Cb 0.27 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1v4r h ASP 38 CO -0.01 0.03 -0.24 0.40 -3.12 0.00 0.00 179.24 176.30 1v4r h ILE 39 N -0.39 0.49 0.00 0.35 5.03 -1.54 -2.61 117.51 118.84 1v4r h ILE 39 Ca -0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1v4r h ILE 39 Cb 0.31 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 1v4r h ILE 39 CO 0.04 0.00 0.00 0.08 -0.68 0.00 0.00 178.15 177.59 1v4r h ARG 40 N -0.55 0.00 0.12 2.37 0.11 -0.99 0.42 114.38 115.85 1v4r h ARG 40 Ca -0.02 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.85 1v4r h ARG 40 Cb 0.49 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.57 1v4r h ARG 40 CO -0.01 0.00 -1.00 0.00 0.10 0.00 0.00 179.97 179.06 1v4r h ALA 41 N 2.14 0.02 0.05 0.08 0.00 -1.16 -3.22 119.26 117.17 1v4r h ALA 41 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1v4r h ALA 41 Cb 0.59 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1v4r h ALA 41 CO 0.00 0.53 -0.02 1.96 0.00 0.00 0.00 179.25 181.72 1v4r h GLN 42 N -0.41 -0.06 -5.10 0.00 1.08 -1.39 -1.17 115.11 108.06 1v4r h GLN 42 Ca -0.20 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.33 1v4r h GLN 42 Cb 1.63 0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 28.90 1v4r h GLN 42 CO 0.09 0.58 0.12 -0.06 -0.95 0.00 0.00 178.83 178.61 1v4r s PHE 43 N -2.89 3.02 -0.85 2.96 0.08 0.15 -4.14 117.98 116.30 1v4r s PHE 43 Ca -0.15 -0.45 -0.22 0.00 0.12 0.00 0.00 56.93 56.23 1v4r s PHE 43 Cb -0.01 -3.59 -0.19 0.00 -0.57 0.00 0.00 43.02 38.66 1v4r s PHE 43 CO 0.56 -1.06 2.16 0.41 -0.10 0.00 0.00 175.22 177.18 1v4r n GLY 44 N 5.16 -0.30 3.34 4.36 0.00 -1.25 -3.76 105.19 112.74 1v4r n GLY 44 Ca -0.05 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1v4r n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v4r s VAL 45 N 13.02 0.00 0.00 1.61 -7.23 -1.22 -4.54 120.40 122.05 1v4r s VAL 45 Ca 0.85 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1v4r s VAL 45 Cb -0.16 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1v4r s VAL 45 CO 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.95 1v4r n ALA 46 N -0.61 0.00 0.10 1.32 0.00 -1.26 -4.71 120.51 115.35 1v4r n ALA 46 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 1v4r n ALA 46 Cb 0.62 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 1v4r n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v4r h ALA 47 N -0.31 -0.04 -0.01 0.00 0.00 -1.98 -3.19 119.26 113.74 1v4r h ALA 47 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 54.91 53.96 1v4r h ALA 47 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1v4r h ALA 47 CO 0.00 0.66 -0.77 -0.22 0.00 0.00 0.00 179.25 178.92 1v4r h LYS 48 N 0.22 0.08 -0.56 0.00 3.64 -1.98 -3.20 116.57 114.77 1v4r h LYS 48 Ca -0.20 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.16 1v4r h LYS 48 Cb 1.93 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.74 1v4r h LYS 48 CO 0.24 0.81 0.37 1.15 -2.27 0.00 0.00 179.45 179.75 1v4r h THR 49 N 0.05 1.01 0.67 1.00 2.02 -1.94 0.23 112.91 115.94 1v4r h THR 49 Ca -0.02 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1v4r h THR 49 Cb 1.36 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1v4r h THR 49 CO 0.11 0.10 -0.46 0.58 0.37 0.00 0.00 175.52 176.22 1v4r h VAL 50 N 0.56 0.08 0.00 3.16 2.07 -1.54 -2.10 116.25 118.47 1v4r h VAL 50 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1v4r h VAL 50 Cb 0.24 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1v4r h VAL 50 CO -0.07 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.28 1v4r n SER 51 N -5.58 0.25 0.03 0.57 2.88 -0.61 -1.49 113.62 109.67 1v4r n SER 51 Ca -0.13 0.59 -0.19 0.00 -1.33 0.00 0.00 58.87 57.80 1v4r n SER 51 Cb 0.46 -0.63 -0.12 0.00 -0.75 0.00 0.00 64.21 63.18 1v4r n SER 51 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1v4r h ARG 52 N 0.00 0.50 0.00 -1.46 9.65 0.05 -3.24 114.38 119.88 1v4r h ARG 52 Ca 0.00 -0.59 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1v4r h ARG 52 Cb 0.16 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1v4r h ARG 52 CO 0.00 1.22 -0.06 0.00 2.80 0.00 0.00 179.97 183.93 1v4r h ALA 53 N 0.30 0.97 -0.15 2.80 0.00 -0.82 -3.27 119.26 119.10 1v4r h ALA 53 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1v4r h ALA 53 Cb 1.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1v4r h ALA 53 CO 0.16 0.00 0.17 -0.07 0.00 0.00 0.00 179.25 179.51 1v4r h LEU 54 N 0.00 0.00 -1.08 0.00 3.38 -1.28 0.52 115.31 116.85 1v4r h LEU 54 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1v4r h LEU 54 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1v4r h LEU 54 CO 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.48 1v4r h ALA 55 N 1.81 1.00 0.10 1.53 0.00 -1.67 -0.58 119.26 121.44 1v4r h ALA 55 Ca 0.07 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 1v4r h ALA 55 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1v4r h ALA 55 CO -0.00 0.06 -2.01 0.28 0.00 0.00 0.00 179.25 177.57 1v4r n VAL 56 N -3.14 1.75 1.13 0.00 0.31 1.00 -4.08 118.33 115.29 1v4r n VAL 56 Ca 0.01 -0.67 0.03 0.00 -0.01 0.00 0.00 64.34 63.71 1v4r n VAL 56 Cb 0.38 -1.64 0.18 0.00 -0.91 0.00 0.00 33.84 31.85 1v4r n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1v4r n LEU 57 N -3.42 0.00 0.03 7.52 4.32 0.14 -0.97 117.00 124.62 1v4r n LEU 57 Ca -0.32 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.48 1v4r n LEU 57 Cb 1.05 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.73 1v4r n LEU 57 CO 0.42 0.00 0.14 0.07 -1.22 0.00 0.00 177.39 176.80 1v4r h LYS 58 N 0.00 0.53 0.05 3.23 2.10 -1.26 0.46 116.57 121.68 1v4r h LYS 58 Ca 0.00 -0.60 -0.33 0.00 -2.00 0.00 0.00 60.65 57.72 1v4r h LYS 58 Cb 0.00 0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 1v4r h LYS 58 CO 0.00 1.22 -1.87 0.43 -2.00 0.00 0.00 179.45 177.23 1v4r n SER 59 N -4.04 1.99 -0.02 7.07 7.64 -0.93 -2.67 113.62 122.66 1v4r n SER 59 Ca -0.11 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.87 1v4r n SER 59 Cb 0.79 -0.84 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 1v4r n SER 59 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1v4r h GLU 60 N -0.48 0.25 0.00 1.43 4.39 -1.23 -3.31 114.58 115.63 1v4r h GLU 60 Ca -0.46 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 58.97 1v4r h GLU 60 Cb 1.69 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 1v4r h GLU 60 CO -0.12 0.99 -0.76 0.41 -1.16 0.00 0.00 179.01 178.38 1v4r n GLY 61 N 1.08 -1.29 2.27 -3.84 0.00 -0.83 -4.95 105.19 97.63 1v4r n GLY 61 Ca -0.10 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 1v4r n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v4r n LEU 62 N -1.90 -1.48 -4.65 0.99 4.77 0.13 -4.87 117.00 109.99 1v4r n LEU 62 Ca 0.03 0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 1v4r n LEU 62 Cb 0.41 -2.01 -0.10 0.00 -2.33 0.00 0.00 43.42 39.40 1v4r n LEU 62 CO 0.38 -0.23 -0.34 0.68 -1.33 0.00 0.00 177.39 176.55 1v4r s VAL 63 N -2.62 4.00 -0.00 4.08 -7.23 0.86 -0.52 120.40 118.96 1v4r s VAL 63 Ca 0.00 -0.58 -0.08 0.00 -1.81 0.00 0.00 61.98 59.51 1v4r s VAL 63 Cb 0.00 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1v4r s VAL 63 CO 0.00 0.44 0.15 -0.55 -0.31 0.00 0.00 175.10 174.83 1v4r s SER 64 N -1.34 0.00 -0.92 4.85 0.15 -1.10 -4.11 113.70 111.24 1v4r s SER 64 Ca 0.17 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.48 1v4r s SER 64 Cb -0.11 0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.55 1v4r s SER 64 CO 0.07 -0.35 1.10 -0.94 1.20 0.00 0.00 173.24 174.32 1v4r s SER 65 N -1.28 6.63 -0.50 5.45 1.04 -1.26 -2.06 113.70 121.72 1v4r s SER 65 Ca -0.14 -2.09 -0.28 0.00 0.48 0.00 0.00 55.95 53.93 1v4r s SER 65 Cb -0.07 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 1v4r s SER 65 CO 0.02 -1.03 1.68 -0.60 0.98 0.00 0.00 173.24 174.29 1v4r s ARG 66 N 2.50 3.10 -1.25 4.02 6.06 -0.83 -4.87 118.95 127.68 1v4r s ARG 66 Ca 0.31 0.84 -0.08 0.00 -2.50 0.00 0.00 55.73 54.30 1v4r s ARG 66 Cb -0.05 -4.23 -0.09 0.00 0.06 0.00 0.00 34.95 30.64 1v4r s ARG 66 CO -0.09 -2.16 2.72 0.41 -2.50 0.00 0.00 175.30 173.68 1v4r n GLY 67 N 5.44 3.75 1.80 8.12 0.00 -1.26 -1.48 105.19 121.56 1v4r n GLY 67 Ca 0.19 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1v4r n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r n ALA 68 N 3.68 0.15 0.09 4.61 0.00 -1.26 -4.92 120.51 122.86 1v4r n ALA 68 Ca 0.64 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 54.05 1v4r n ALA 68 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1v4r n ALA 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v4r h LEU 69 N 0.00 0.00 0.00 0.00 -0.00 -2.00 -3.50 115.31 109.81 1v4r h LEU 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1v4r h LEU 69 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1v4r h LEU 69 CO 0.00 0.81 0.00 0.61 -0.00 0.00 0.00 178.44 179.86 1v4r n GLY 70 N 1.31 0.71 3.62 0.83 0.00 -0.55 -5.01 105.19 106.11 1v4r n GLY 70 Ca 0.00 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1v4r n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v4r s THR 71 N -1.31 4.25 -0.03 2.61 2.01 -1.26 -1.96 115.64 119.96 1v4r s THR 71 Ca 0.00 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.37 1v4r s THR 71 Cb 0.00 -4.45 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1v4r s THR 71 CO 0.00 -0.76 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.39 1v4r s VAL 72 N 4.32 0.78 -1.33 3.82 1.01 -0.88 0.38 120.40 128.50 1v4r s VAL 72 Ca 0.50 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 1v4r s VAL 72 Cb -0.11 -0.70 0.09 0.00 0.00 0.00 0.00 36.38 35.67 1v4r s VAL 72 CO 0.26 0.24 1.86 0.55 0.00 0.00 0.00 175.10 178.02 1v4r n VAL 73 N 3.29 3.89 -3.29 2.92 3.14 0.26 -2.70 118.33 125.84 1v4r n VAL 73 Ca -0.18 -3.89 -0.21 0.00 -2.96 0.00 0.00 64.34 57.09 1v4r n VAL 73 Cb 0.54 -2.45 -0.08 0.00 -1.06 0.00 0.00 33.84 30.79 1v4r n VAL 73 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1v4r s GLU 74 N 3.05 0.83 0.00 1.45 -1.05 -1.11 0.34 118.70 122.22 1v4r s GLU 74 Ca 0.48 -1.59 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 1v4r s GLU 74 Cb 0.07 -1.03 0.00 0.00 -0.44 0.00 0.00 34.13 32.73 1v4r s GLU 74 CO 0.01 -1.32 0.00 1.17 0.95 0.00 0.00 175.26 176.07 1v4r n LYS 75 N 3.29 0.00 -3.70 -4.83 3.00 0.33 -4.52 118.16 111.72 1v4r n LYS 75 Ca 0.22 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.23 1v4r n LYS 75 Cb 0.47 -0.09 -0.13 0.00 0.00 0.00 0.00 35.03 35.28 1v4r n LYS 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1v4r s ASN 76 N -1.00 3.69 -0.38 3.14 3.04 -1.09 -4.99 114.94 117.35 1v4r s ASN 76 Ca 0.00 -2.40 -0.45 0.00 0.04 0.00 0.00 52.86 50.05 1v4r s ASN 76 Cb 0.00 -0.97 -0.20 0.00 -1.54 0.00 0.00 41.25 38.54 1v4r s ASN 76 CO 0.00 -0.30 1.47 -2.65 -3.04 0.00 0.00 177.10 172.58 1v4r n PRO 77 N 3.84 0.01 -1.65 0.43 -0.01 -1.26 -4.65 135.00 131.70 1v4r n PRO 77 Ca 0.07 0.00 -0.48 0.00 -0.01 0.00 0.00 63.50 63.08 1v4r n PRO 77 Cb 0.36 -1.50 -0.05 0.00 -0.01 0.00 0.00 33.50 32.30 1v4r n PRO 77 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 1v4r n ILE 78 N 3.40 0.54 -1.47 4.25 2.08 -1.26 -4.72 119.36 122.18 1v4r n ILE 78 Ca 0.28 -0.15 -0.12 0.00 0.56 0.00 0.00 62.75 63.32 1v4r n ILE 78 Cb -0.02 -1.94 -0.10 0.00 -0.75 0.00 0.00 39.64 36.82 1v4r n ILE 78 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1v4r n VAL 79 N 5.60 0.00 -2.56 1.39 0.31 -1.26 -4.87 118.33 116.94 1v4r n VAL 79 Ca 0.25 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 64.07 1v4r n VAL 79 Cb 0.31 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 1v4r n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1v4r s ILE 80 N 14.53 4.26 -0.11 2.52 1.01 -1.26 -4.91 121.20 137.24 1v4r s ILE 80 Ca 0.68 1.37 -0.00 0.00 0.00 0.00 0.00 60.65 62.70 1v4r s ILE 80 Cb -0.04 -4.44 0.08 0.00 0.01 0.00 0.00 42.46 38.07 1v4r s ILE 80 CO 0.16 -0.74 1.91 0.41 0.00 0.00 0.00 174.94 176.68 1v4r n THR 81 N 6.46 2.18 0.00 2.92 -1.04 -1.26 -4.70 114.28 118.84 1v4r n THR 81 Ca 0.13 -0.84 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1v4r n THR 81 Cb 0.48 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1v4r n THR 81 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1v4r n GLY 82 N 0.99 2.71 3.82 3.41 0.00 -1.26 -5.19 105.19 109.67 1v4r n GLY 82 Ca 0.11 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1v4r n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v4r s ALA 83 N -1.00 -1.27 -2.02 4.61 0.00 -1.26 -5.00 121.76 115.82 1v4r s ALA 83 Ca 0.00 -0.30 0.14 0.00 0.00 0.00 0.00 51.96 51.81 1v4r s ALA 83 Cb 0.00 0.74 0.81 0.00 0.00 0.00 0.00 23.12 24.68 1v4r s ALA 83 CO 0.00 -1.03 1.53 -3.47 0.00 0.00 0.00 175.76 172.79 1v4r n ASP 84 N -0.76 0.14 0.00 0.00 2.03 -1.26 -3.52 116.55 113.19 1v4r n ASP 84 Ca -0.05 -1.58 0.13 0.00 0.52 0.00 0.00 54.79 53.80 1v4r n ASP 84 Cb 0.60 -0.01 0.67 0.00 -0.72 0.00 0.00 41.12 41.66 1v4r n ASP 84 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1v4r n ARG 85 N -0.62 0.50 -2.18 -0.67 1.74 -1.26 -4.66 116.66 109.50 1v4r n ARG 85 Ca 0.11 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 1v4r n ARG 85 Cb 0.07 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1v4r n ARG 85 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1v4r s LEU 86 N -2.39 3.25 0.32 0.55 2.34 -1.23 -4.78 118.68 116.74 1v4r s LEU 86 Ca 0.28 -0.93 0.10 0.00 0.06 0.00 0.00 54.13 53.64 1v4r s LEU 86 Cb 0.17 -2.56 0.52 0.00 -0.56 0.00 0.00 46.19 43.76 1v4r s LEU 86 CO 0.36 -2.43 1.72 0.11 -1.06 0.00 0.00 176.35 175.04 1v4r h LYS 87 N 10.81 0.07 0.00 1.48 1.57 -1.95 -3.14 116.57 125.41 1v4r h LYS 87 Ca 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1v4r h LYS 87 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1v4r h LYS 87 CO 1.27 0.53 -0.25 -2.13 -0.57 0.00 0.00 179.45 178.29 1v4r n ARG 88 N -3.98 0.81 0.00 3.15 3.00 -1.26 -5.05 116.66 113.32 1v4r n ARG 88 Ca -0.02 -2.06 0.00 0.00 -0.00 0.00 0.00 57.85 55.77 1v4r n ARG 88 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 31.86 1v4r n ARG 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1v4r n MET 89 N -0.84 0.00 -1.26 -0.14 0.00 -1.19 -3.89 117.12 109.80 1v4r n MET 89 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.58 1v4r n MET 89 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.88 1v4r n MET 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1v4r n GLU 90 N 0.00 2.18 -2.55 2.12 1.02 -1.26 -4.87 120.64 117.28 1v4r n GLU 90 Ca 0.00 -2.02 -0.43 0.00 -0.02 0.00 0.00 57.16 54.69 1v4r n GLU 90 Cb 0.00 -1.96 -0.02 0.00 -0.02 0.00 0.00 31.44 29.44 1v4r n GLU 90 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1v4r s LYS 91 N -1.63 3.68 0.45 3.49 2.20 -1.25 -4.99 119.74 121.68 1v4r s LYS 91 Ca 0.50 0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 56.48 1v4r s LYS 91 Cb 0.33 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.64 1v4r s LYS 91 CO -0.14 -1.44 1.35 -0.80 -0.36 0.00 0.00 175.35 173.96 1v4r s ASN 92 N 2.80 5.96 0.00 1.43 0.02 -1.26 -4.94 114.94 118.96 1v4r s ASN 92 Ca 0.50 2.75 0.00 0.00 -1.02 0.00 0.00 52.86 55.10 1v4r s ASN 92 Cb -0.08 -2.64 0.00 0.00 0.02 0.00 0.00 41.25 38.55 1v4r s ASN 92 CO 0.32 -1.10 0.99 0.61 0.02 0.00 0.00 177.10 177.94 1v4r n GLY 93 N 0.63 -3.05 2.51 0.66 0.00 -1.26 -1.67 105.19 103.00 1v4r n GLY 93 Ca 0.06 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 1v4r n GLY 93 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1v4r n MET 94 N -2.82 3.30 -3.54 1.61 0.00 -1.26 -4.73 117.12 109.67 1v4r n MET 94 Ca 0.00 -2.86 -0.23 0.00 -0.00 0.00 0.00 57.70 54.61 1v4r n MET 94 Cb 0.00 -2.33 -0.15 0.00 0.00 0.00 0.00 33.22 30.74 1v4r n MET 94 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1v4r s ARG 95 N -1.69 0.14 -0.31 2.12 1.81 -0.67 -5.11 118.95 115.24 1v4r s ARG 95 Ca 0.56 -0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.56 1v4r s ARG 95 Cb 0.31 -1.43 0.08 0.00 -0.45 0.00 0.00 34.95 33.46 1v4r s ARG 95 CO -0.18 -0.74 -0.00 -0.47 -0.68 0.00 0.00 175.30 173.23 1v4r s TYR 96 N 2.22 3.51 -0.32 -0.53 5.04 -1.26 -4.42 117.35 121.59 1v4r s TYR 96 Ca 0.05 -2.56 -0.28 0.00 -2.44 0.00 0.00 57.07 51.84 1v4r s TYR 96 Cb -0.16 -2.49 -0.04 0.00 0.35 0.00 0.00 41.96 39.63 1v4r s TYR 96 CO -0.15 -0.91 2.05 0.00 -1.34 0.00 0.00 175.55 175.19 1v4r s ALA 97 N 1.04 2.63 -2.33 3.97 0.00 -1.26 -4.84 121.76 120.97 1v4r s ALA 97 Ca 0.01 0.39 0.21 0.00 0.00 0.00 0.00 51.96 52.58 1v4r s ALA 97 Cb -0.20 -4.10 0.58 0.00 0.00 0.00 0.00 23.12 19.41 1v4r s ALA 97 CO -0.06 -2.98 1.47 -0.35 0.00 0.00 0.00 175.76 173.84 1v4r n PRO 98 N 8.68 2.07 -2.62 0.00 -0.04 -1.26 -4.21 135.00 137.62 1v4r n PRO 98 Ca 0.27 -1.62 -0.08 0.00 -0.04 0.00 0.00 63.50 62.03 1v4r n PRO 98 Cb 0.47 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1v4r n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v4r n GLY 99 N 1.29 2.90 0.88 0.55 0.00 -1.26 -5.37 105.19 104.17 1v4r n GLY 99 Ca 0.17 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.76 1v4r n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11